# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.70790067
_cell_length_b   12.70864988
_cell_length_c   46.34006597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al72 Ni216'
_cell_volume   7120.8565597
_cell_formula_units_Z   72
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.883870  0.217486  0.292394  1
  Al  Al2  1  0.217204  0.884153  0.292394  1
  Al  Al3  1  0.137797  0.138092  0.328746  1
  Al  Al4  1  0.511008  0.177973  0.310423  1
  Al  Al5  1  0.844341  0.844640  0.310423  1
  Al  Al6  1  0.177674  0.511306  0.310423  1
  Al  Al7  1  0.550537  0.550819  0.292394  1
  Al  Al8  1  0.471130  0.804758  0.328746  1
  Al  Al9  1  0.804464  0.471425  0.328746  1
  Al  Al10  1  0.765959  0.099594  0.346354  1
  Al  Al11  1  0.099293  0.766261  0.346354  1
  Al  Al12  1  0.020971  0.021280  0.383531  1
  Al  Al13  1  0.393793  0.060770  0.365075  1
  Al  Al14  1  0.727126  0.727437  0.365075  1
  Al  Al15  1  0.060459  0.394104  0.365075  1
  Al  Al16  1  0.432626  0.432928  0.346354  1
  Al  Al17  1  0.354304  0.687947  0.383531  1
  Al  Al18  1  0.687638  0.354614  0.383531  1
  Al  Al19  1  0.648307  0.981956  0.401961  1
  Al  Al20  1  0.981640  0.648623  0.401961  1
  Al  Al21  1  0.903166  0.903490  0.439044  1
  Al  Al22  1  0.275740  0.942726  0.420676  1
  Al  Al23  1  0.609073  0.609393  0.420676  1
  Al  Al24  1  0.942406  0.276060  0.420676  1
  Al  Al25  1  0.314974  0.315290  0.401961  1
  Al  Al26  1  0.236499  0.570156  0.439044  1
  Al  Al27  1  0.569832  0.236823  0.439044  1
  Al  Al28  1  0.530513  0.864175  0.457614  1
  Al  Al29  1  0.863847  0.530842  0.457614  1
  Al  Al30  1  0.785250  0.785587  0.494588  1
  Al  Al31  1  0.157855  0.824854  0.476154  1
  Al  Al32  1  0.491189  0.491521  0.476154  1
  Al  Al33  1  0.824522  0.158188  0.476154  1
  Al  Al34  1  0.197180  0.197509  0.457614  1
  Al  Al35  1  0.118583  0.452254  0.494588  1
  Al  Al36  1  0.451917  0.118920  0.494588  1
  Al  Al37  1  0.412586  0.746261  0.513254  1
  Al  Al38  1  0.745919  0.412927  0.513254  1
  Al  Al39  1  0.667294  0.667643  0.550246  1
  Al  Al40  1  0.040023  0.707035  0.531648  1
  Al  Al41  1  0.373356  0.373701  0.531648  1
  Al  Al42  1  0.706689  0.040368  0.531648  1
  Al  Al43  1  0.079253  0.079594  0.513254  1
  Al  Al44  1  1.000627  0.334310  0.550246  1
  Al  Al45  1  0.333960  1.000976  0.550246  1
  Al  Al46  1  0.294731  0.628419  0.568811  1
  Al  Al47  1  0.628064  0.295085  0.568811  1
  Al  Al48  1  0.549552  0.549916  0.605986  1
  Al  Al49  1  0.922052  0.589075  0.587097  1
  Al  Al50  1  0.255386  0.255742  0.587097  1
  Al  Al51  1  0.588719  0.922409  0.587097  1
  Al  Al52  1  0.961398  0.961752  0.568811  1
  Al  Al53  1  0.882886  0.216583  0.605986  1
  Al  Al54  1  0.216219  0.883250  0.605986  1
  Al  Al55  1  0.176834  0.510536  0.624105  1
  Al  Al56  1  0.510168  0.177203  0.624105  1
  Al  Al57  1  0.431884  0.432265  0.661397  1
  Al  Al58  1  0.804113  0.471147  0.642958  1
  Al  Al59  1  0.137446  0.137813  0.642958  1
  Al  Al60  1  0.470780  0.804480  0.642958  1
  Al  Al61  1  0.843501  0.843869  0.624105  1
  Al  Al62  1  0.765217  0.098931  0.661397  1
  Al  Al63  1  0.098550  0.765598  0.661397  1
  Al  Al64  1  0.059886  0.393589  0.679079  1
  Al  Al65  1  0.393220  0.060256  0.679079  1
  Al  Al66  1  0.312202  0.312618  0.714924  1
  Al  Al67  1  0.685997  0.353048  0.697346  1
  Al  Al68  1  0.019330  0.019715  0.697346  1
  Al  Al69  1  0.352663  0.686382  0.697346  1
  Al  Al70  1  0.726553  0.726922  0.679079  1
  Al  Al71  1  0.645535  0.979285  0.714924  1
  Al  Al72  1  0.978868  0.645952  0.714924  1
  Ni  Ni73  1  0.696827  0.197108  0.299384  1
  Ni  Ni74  1  0.030161  0.863775  0.299384  1
  Ni  Ni75  1  0.071094  0.237971  0.281885  1
  Ni  Ni76  1  0.324726  0.158155  0.318265  1
  Ni  Ni77  1  0.658059  0.824822  0.318265  1
  Ni  Ni78  1  0.991393  0.491489  0.318265  1
  Ni  Ni79  1  0.363494  0.530441  0.299384  1
  Ni  Ni80  1  0.404427  0.904637  0.281885  1
  Ni  Ni81  1  0.737760  0.571304  0.281885  1
  Ni  Ni82  1  0.863482  0.030453  0.299384  1
  Ni  Ni83  1  0.196815  0.697120  0.299384  1
  Ni  Ni84  1  0.237699  0.071363  0.281884  1
  Ni  Ni85  1  0.491185  0.991699  0.318266  1
  Ni  Ni86  1  0.824518  0.658366  0.318266  1
  Ni  Ni87  1  0.157851  0.325033  0.318266  1
  Ni  Ni88  1  0.530149  0.363787  0.299384  1
  Ni  Ni89  1  0.571032  0.738029  0.281884  1
  Ni  Ni90  1  0.904366  0.404696  0.281884  1
  Ni  Ni91  1  0.676724  0.010356  0.308242  1
  Ni  Ni92  1  0.010058  0.677023  0.308242  1
  Ni  Ni93  1  0.050928  0.051211  0.290298  1
  Ni  Ni94  1  0.305620  0.972582  0.328364  1
  Ni  Ni95  1  0.638954  0.639248  0.328364  1
  Ni  Ni96  1  0.972287  0.305915  0.328364  1
  Ni  Ni97  1  0.343391  0.343690  0.308242  1
  Ni  Ni98  1  0.384261  0.717878  0.290298  1
  Ni  Ni99  1  0.717595  0.384545  0.290298  1
  Ni  Ni100  1  0.580337  0.079687  0.355766  1
  Ni  Ni101  1  0.913670  0.746354  0.355766  1
  Ni  Ni102  1  0.952377  0.118691  0.337370  1
  Ni  Ni103  1  0.207334  0.040753  0.374485  1
  Ni  Ni104  1  0.540668  0.707420  0.374485  1
  Ni  Ni105  1  0.874001  0.374087  0.374485  1
  Ni  Ni106  1  0.247003  0.413021  0.355766  1
  Ni  Ni107  1  0.285710  0.785358  0.337370  1
  Ni  Ni108  1  0.619044  0.452025  0.337370  1
  Ni  Ni109  1  0.746047  0.913976  0.355766  1
  Ni  Ni110  1  0.079381  0.580642  0.355766  1
  Ni  Ni111  1  0.118395  0.952674  0.337369  1
  Ni  Ni112  1  0.373778  0.874310  0.374485  1
  Ni  Ni113  1  0.707111  0.540976  0.374485  1
  Ni  Ni114  1  0.040445  0.207643  0.374485  1
  Ni  Ni115  1  0.412714  0.247309  0.355766  1
  Ni  Ni116  1  0.451728  0.619340  0.337369  1
  Ni  Ni117  1  0.785061  0.286007  0.337369  1
  Ni  Ni118  1  0.560126  0.893770  0.364805  1
  Ni  Ni119  1  0.893459  0.560437  0.364805  1
  Ni  Ni120  1  0.932909  0.933211  0.346433  1
  Ni  Ni121  1  0.187522  0.854499  0.383553  1
  Ni  Ni122  1  0.520856  0.521165  0.383553  1
  Ni  Ni123  1  0.854189  0.187832  0.383553  1
  Ni  Ni124  1  0.226793  0.227104  0.364805  1
  Ni  Ni125  1  0.266243  0.599878  0.346433  1
  Ni  Ni126  1  0.599576  0.266544  0.346433  1
  Ni  Ni127  1  0.462160  0.962410  0.411287  1
  Ni  Ni128  1  0.795493  0.629076  0.411287  1
  Ni  Ni129  1  0.834682  0.001713  0.392705  1
  Ni  Ni130  1  0.089421  0.923091  0.429838  1
  Ni  Ni131  1  0.422754  0.589757  0.429838  1
  Ni  Ni132  1  0.756088  0.256424  0.429838  1
  Ni  Ni133  1  0.128826  0.295743  0.411287  1
  Ni  Ni134  1  0.168015  0.668380  0.392705  1
  Ni  Ni135  1  0.501349  0.335047  0.392705  1
  Ni  Ni136  1  0.628757  0.795812  0.411287  1
  Ni  Ni137  1  0.962091  0.462479  0.411287  1
  Ni  Ni138  1  0.001400  0.834995  0.392705  1
  Ni  Ni139  1  0.256103  0.756409  0.429838  1
  Ni  Ni140  1  0.589436  0.423076  0.429838  1
  Ni  Ni141  1  0.922769  0.089742  0.429838  1
  Ni  Ni142  1  0.295424  0.129146  0.411287  1
  Ni  Ni143  1  0.334734  0.501662  0.392705  1
  Ni  Ni144  1  0.668067  0.168328  0.392705  1
  Ni  Ni145  1  0.442419  0.776072  0.420687  1
  Ni  Ni146  1  0.775752  0.442739  0.420687  1
  Ni  Ni147  1  0.815130  0.815446  0.402012  1
  Ni  Ni148  1  0.069784  0.736775  0.439027  1
  Ni  Ni149  1  0.403118  0.403441  0.439027  1
  Ni  Ni150  1  0.736451  0.070108  0.439027  1
  Ni  Ni151  1  0.109085  0.109405  0.420687  1
  Ni  Ni152  1  0.148463  0.482113  0.402012  1
  Ni  Ni153  1  0.481797  0.148779  0.402012  1
  Ni  Ni154  1  0.344149  0.844489  0.466946  1
  Ni  Ni155  1  0.677482  0.511155  0.466946  1
  Ni  Ni156  1  0.716836  0.883842  0.448299  1
  Ni  Ni157  1  0.971588  0.805244  0.485352  1
  Ni  Ni158  1  0.304921  0.471911  0.485352  1
  Ni  Ni159  1  0.638254  0.138577  0.485352  1
  Ni  Ni160  1  0.010815  0.177822  0.466946  1
  Ni  Ni161  1  0.050170  0.550508  0.448299  1
  Ni  Ni162  1  0.383503  0.217175  0.448299  1
  Ni  Ni163  1  0.510825  0.677812  0.466946  1
  Ni  Ni164  1  0.844158  0.344479  0.466946  1
  Ni  Ni165  1  0.883515  0.717163  0.448299  1
  Ni  Ni166  1  0.138243  0.638589  0.485352  1
  Ni  Ni167  1  0.471576  0.305256  0.485352  1
  Ni  Ni168  1  0.804909  0.971922  0.485352  1
  Ni  Ni169  1  0.177492  0.011146  0.466946  1
  Ni  Ni170  1  0.216849  0.383829  0.448299  1
  Ni  Ni171  1  0.550182  0.050496  0.448299  1
  Ni  Ni172  1  0.324537  0.658203  0.476161  1
  Ni  Ni173  1  0.657871  0.324870  0.476161  1
  Ni  Ni174  1  0.697174  0.697503  0.457610  1
  Ni  Ni175  1  0.951916  0.618919  0.494591  1
  Ni  Ni176  1  0.285249  0.285586  0.494591  1
  Ni  Ni177  1  0.618583  0.952253  0.494591  1
  Ni  Ni178  1  0.991204  0.991537  0.476161  1
  Ni  Ni179  1  0.030508  0.364170  0.457610  1
  Ni  Ni180  1  0.363841  0.030837  0.457610  1
  Ni  Ni181  1  0.226295  0.726644  0.522483  1
  Ni  Ni182  1  0.559629  0.393310  0.522483  1
  Ni  Ni183  1  0.598903  0.765911  0.503923  1
  Ni  Ni184  1  0.853681  0.687354  0.540860  1
  Ni  Ni185  1  0.187015  0.354020  0.540860  1
  Ni  Ni186  1  0.520348  0.020687  0.540860  1
  Ni  Ni187  1  0.892962  0.059977  0.522483  1
  Ni  Ni188  1  0.932236  0.432578  0.503923  1
  Ni  Ni189  1  0.265569  0.099244  0.503923  1
  Ni  Ni190  1  0.392967  0.559972  0.522483  1
  Ni  Ni191  1  0.726300  0.226639  0.522483  1
  Ni  Ni192  1  0.765572  0.599242  0.503923  1
  Ni  Ni193  1  0.020340  0.520695  0.540860  1
  Ni  Ni194  1  0.353673  0.187361  0.540860  1
  Ni  Ni195  1  0.687007  0.854028  0.540860  1
  Ni  Ni196  1  0.059634  0.893305  0.522483  1
  Ni  Ni197  1  0.098905  0.265908  0.503923  1
  Ni  Ni198  1  0.432239  0.932575  0.503923  1
  Ni  Ni199  1  0.206672  0.540350  0.531636  1
  Ni  Ni200  1  0.540005  0.207017  0.531636  1
  Ni  Ni201  1  0.579256  0.579597  0.513253  1
  Ni  Ni202  1  0.833967  0.500983  0.550253  1
  Ni  Ni203  1  0.167301  0.167650  0.550253  1
  Ni  Ni204  1  0.500634  0.834317  0.550253  1
  Ni  Ni205  1  0.873338  0.873684  0.531636  1
  Ni  Ni206  1  0.912589  0.246264  0.513253  1
  Ni  Ni207  1  0.245922  0.912930  0.513253  1
  Ni  Ni208  1  0.108491  0.608805  0.577901  1
  Ni  Ni209  1  0.441825  0.275472  0.577901  1
  Ni  Ni210  1  0.481007  0.648012  0.559587  1
  Ni  Ni211  1  0.735632  0.569382  0.596617  1
  Ni  Ni212  1  0.068965  0.236048  0.596617  1
  Ni  Ni213  1  0.402298  0.902715  0.596617  1
  Ni  Ni214  1  0.775158  0.942138  0.577901  1
  Ni  Ni215  1  0.814341  0.314678  0.559587  1
  Ni  Ni216  1  0.147674  0.981345  0.559587  1
  Ni  Ni217  1  0.275116  0.442181  0.577901  1
  Ni  Ni218  1  0.608449  0.108848  0.577901  1
  Ni  Ni219  1  0.647659  0.481359  0.559587  1
  Ni  Ni220  1  0.902356  0.402657  0.596617  1
  Ni  Ni221  1  0.235690  0.069324  0.596617  1
  Ni  Ni222  1  0.569023  0.735991  0.596617  1
  Ni  Ni223  1  0.941782  0.775514  0.577901  1
  Ni  Ni224  1  0.980993  0.148026  0.559587  1
  Ni  Ni225  1  0.314326  0.814693  0.559587  1
  Ni  Ni226  1  0.088709  0.422399  0.587090  1
  Ni  Ni227  1  0.422042  0.089066  0.587090  1
  Ni  Ni228  1  0.461442  0.461796  0.568820  1
  Ni  Ni229  1  0.716112  0.383142  0.605926  1
  Ni  Ni230  1  0.049446  0.049809  0.605926  1
  Ni  Ni231  1  0.382779  0.716476  0.605926  1
  Ni  Ni232  1  0.755376  0.755732  0.587090  1
  Ni  Ni233  1  0.794775  0.128463  0.568820  1
  Ni  Ni234  1  0.128108  0.795130  0.568820  1
  Ni  Ni235  1  0.990373  0.491053  0.633266  1
  Ni  Ni236  1  0.323706  0.157720  0.633266  1
  Ni  Ni237  1  0.363267  0.530255  0.615146  1
  Ni  Ni238  1  0.617991  0.452518  0.652240  1
  Ni  Ni239  1  0.951324  0.119184  0.652240  1
  Ni  Ni240  1  0.284657  0.785851  0.652240  1
  Ni  Ni241  1  0.657040  0.824387  0.633266  1
  Ni  Ni242  1  0.696601  0.196922  0.615146  1
  Ni  Ni243  1  0.029934  0.863588  0.615146  1
  Ni  Ni244  1  0.157355  0.324070  0.633266  1
  Ni  Ni245  1  0.490689  0.990737  0.633266  1
  Ni  Ni246  1  0.529889  0.363634  0.615146  1
  Ni  Ni247  1  0.785477  0.285032  0.652241  1
  Ni  Ni248  1  0.118810  0.951699  0.652241  1
  Ni  Ni249  1  0.452143  0.618366  0.652241  1
  Ni  Ni250  1  0.824022  0.657403  0.633266  1
  Ni  Ni251  1  0.863222  0.030301  0.615146  1
  Ni  Ni252  1  0.196555  0.696967  0.615146  1
  Ni  Ni253  1  0.970957  0.304657  0.643157  1
  Ni  Ni254  1  0.304291  0.971324  0.643157  1
  Ni  Ni255  1  0.343659  0.344026  0.624042  1
  Ni  Ni256  1  0.598281  0.265329  0.661340  1
  Ni  Ni257  1  0.931614  0.931995  0.661340  1
  Ni  Ni258  1  0.264948  0.598662  0.661340  1
  Ni  Ni259  1  0.637624  0.637991  0.643157  1
  Ni  Ni260  1  0.676992  0.010693  0.624042  1
  Ni  Ni261  1  0.010325  0.677360  0.624042  1
  Ni  Ni262  1  0.874111  0.374336  0.690420  1
  Ni  Ni263  1  0.207445  0.041003  0.690420  1
  Ni  Ni264  1  0.245695  0.413290  0.669980  1
  Ni  Ni265  1  0.499982  0.333569  0.708382  1
  Ni  Ni266  1  0.833315  1.000235  0.708382  1
  Ni  Ni267  1  0.166648  0.666902  0.708382  1
  Ni  Ni268  1  0.540778  0.707669  0.690420  1
  Ni  Ni269  1  0.579028  0.079956  0.669980  1
  Ni  Ni270  1  0.912362  0.746623  0.669980  1
  Ni  Ni271  1  0.040628  0.207817  0.690419  1
  Ni  Ni272  1  0.373962  0.874484  0.690419  1
  Ni  Ni273  1  0.412905  0.246080  0.669980  1
  Ni  Ni274  1  0.666506  0.167045  0.708382  1
  Ni  Ni275  1  0.999840  0.833712  0.708382  1
  Ni  Ni276  1  0.333173  0.500378  0.708382  1
  Ni  Ni277  1  0.707295  0.541151  0.690419  1
  Ni  Ni278  1  0.746239  0.912746  0.669980  1
  Ni  Ni279  1  0.079572  0.579413  0.669980  1
  Ni  Ni280  1  0.853357  0.187074  0.699350  1
  Ni  Ni281  1  0.186690  0.853741  0.699350  1
  Ni  Ni282  1  0.225417  0.225785  0.679760  1
  Ni  Ni283  1  0.478039  0.145120  0.716615  1
  Ni  Ni284  1  0.811372  0.811787  0.716615  1
  Ni  Ni285  1  0.144705  0.478454  0.716615  1
  Ni  Ni286  1  0.520023  0.520408  0.699350  1
  Ni  Ni287  1  0.558750  0.892452  0.679760  1
  Ni  Ni288  1  0.892083  0.559119  0.679760  1
